N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide

C22H37N3O2 — CID 111959163

IUPACN'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
SMILESCCCCOc1ccc(CC/N=C(\NCC)N2CCC(OCC)CC2)cc1
InChIInChI=1S/C22H37N3O2/c1-4-7-18-27-20-10-8-19(9-11-20)12-15-24-22(23-5-2)25-16-13-21(14-17-25)26-6-3/h8-11,21H,4-7,12-18H2,1-3H3,(H,23,24)
InChIKeyMRSRYXWJLHDTAX-UHFFFAOYSA-N
MW375.56 g/mol
LogP3.87
Rot. Bonds10

About N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide

N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide (PubChem CID 111959163) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
PubChem CID111959163
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
SMILESCCCCOc1ccc(CC/N=C(\NCC)N2CCC(OCC)CC2)cc1
InChIInChI=1S/C22H37N3O2/c1-4-7-18-27-20-10-8-19(9-11-20)12-15-24-22(23-5-2)25-16-13-21(14-17-25)26-6-3/h8-11,21H,4-7,12-18H2,1-3H3,(H,23,24)
InChIKeyMRSRYXWJLHDTAX-UHFFFAOYSA-N
XLogP3.87
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
N'-[2-(3-bromophenoxy)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide
CID 111958879
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427919
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
4-ethoxy-N-ethyl-N'-[(3-propoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111958892
4-ethoxy-N-ethyl-N'-[3-(2-methylpropoxy)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111959036
N-butyl-4-[[[(4-ethoxypiperidin-1-yl)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111959557
4-ethoxy-N-ethyl-N'-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111958653
N'-[3-(dipropylamino)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111960246

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The IUPAC name of N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide (CID 111959163) is N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide is CCCCOc1ccc(CC/N=C(\NCC)N2CCC(OCC)CC2)cc1.
What is the InChIKey of N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
The InChIKey is MRSRYXWJLHDTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-4-7-18-27-20-10-8-19(9-11-20)12-15-24-22(23-5-2)25-16-13-21(14-17-25)26-6-3/h8-11,21H,4-7,12-18H2,1-3H3,(H,23,24).
What are the key properties of N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide?
N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide has a molecular weight of 375.56 g/mol, XLogP of 3.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-butoxyphenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide is sourced from PubChem (CID 111959163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).